tert-butyl-[(3R,5Z,8Z)-1,1-di(propan-2-yloxy)tetradeca-5,8-dien-3-yl]oxy-dimethylsilane

C26H52O3Si — CID 10813028

IUPACtert-butyl-[(3R,5Z,8Z)-1,1-di(propan-2-yloxy)tetradeca-5,8-dien-3-yl]oxy-dimethylsilane
SMILESCCCCC/C=C\C/C=C\C[C@H](CC(OC(C)C)OC(C)C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C26H52O3Si/c1-11-12-13-14-15-16-17-18-19-20-24(29-30(9,10)26(6,7)8)21-25(27-22(2)3)28-23(4)5/h15-16,18-19,22-25H,11-14,17,20-21H2,1-10H3/b16-15-,19-18-/t24-/m1/s1
InChIKeySOJRLBQUAPFUJO-GAIMLEECSA-N
MW440.79 g/mol
LogP8.42
Rot. Bonds16

About tert-butyl-[(3R,5Z,8Z)-1,1-di(propan-2-yloxy)tetradeca-5,8-dien-3-yl]oxy-dimethylsilane

tert-butyl-[(3R,5Z,8Z)-1,1-di(propan-2-yloxy)tetradeca-5,8-dien-3-yl]oxy-dimethylsilane (PubChem CID 10813028) has the molecular formula C26H52O3Si and a molecular weight of 440.79 g/mol. Its IUPAC name is tert-butyl-[(3R,5Z,8Z)-1,1-di(propan-2-yloxy)tetradeca-5,8-dien-3-yl]oxy-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(3R,5Z,8Z)-1,1-di(propan-2-yloxy)tetradeca-5,8-dien-3-yl]oxy-dimethylsilane
PubChem CID10813028
Molecular FormulaC26H52O3Si
Molecular Weight440.79 g/mol
Exact Mass440.37
IUPAC Nametert-butyl-[(3R,5Z,8Z)-1,1-di(propan-2-yloxy)tetradeca-5,8-dien-3-yl]oxy-dimethylsilane
SMILESCCCCC/C=C\C/C=C\C[C@H](CC(OC(C)C)OC(C)C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C26H52O3Si/c1-11-12-13-14-15-16-17-18-19-20-24(29-30(9,10)26(6,7)8)21-25(27-22(2)3)28-23(4)5/h15-16,18-19,22-25H,11-14,17,20-21H2,1-10H3/b16-15-,19-18-/t24-/m1/s1
InChIKeySOJRLBQUAPFUJO-GAIMLEECSA-N
XLogP8.42
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds16
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.79
LogP ≤ 58.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(3R,5Z,8Z)-1,1-di(propan-2-yloxy)tetradeca-5,8-dien-3-yl]oxy-dimethylsilane?
The IUPAC name of tert-butyl-[(3R,5Z,8Z)-1,1-di(propan-2-yloxy)tetradeca-5,8-dien-3-yl]oxy-dimethylsilane (CID 10813028) is tert-butyl-[(3R,5Z,8Z)-1,1-di(propan-2-yloxy)tetradeca-5,8-dien-3-yl]oxy-dimethylsilane.
What is the SMILES notation for tert-butyl-[(3R,5Z,8Z)-1,1-di(propan-2-yloxy)tetradeca-5,8-dien-3-yl]oxy-dimethylsilane?
The canonical SMILES for tert-butyl-[(3R,5Z,8Z)-1,1-di(propan-2-yloxy)tetradeca-5,8-dien-3-yl]oxy-dimethylsilane is CCCCC/C=C\C/C=C\C[C@H](CC(OC(C)C)OC(C)C)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-[(3R,5Z,8Z)-1,1-di(propan-2-yloxy)tetradeca-5,8-dien-3-yl]oxy-dimethylsilane?
The InChIKey is SOJRLBQUAPFUJO-GAIMLEECSA-N. The full InChI is InChI=1S/C26H52O3Si/c1-11-12-13-14-15-16-17-18-19-20-24(29-30(9,10)26(6,7)8)21-25(27-22(2)3)28-23(4)5/h15-16,18-19,22-25H,11-14,17,20-21H2,1-10H3/b16-15-,19-18-/t24-/m1/s1.
What are the key properties of tert-butyl-[(3R,5Z,8Z)-1,1-di(propan-2-yloxy)tetradeca-5,8-dien-3-yl]oxy-dimethylsilane?
tert-butyl-[(3R,5Z,8Z)-1,1-di(propan-2-yloxy)tetradeca-5,8-dien-3-yl]oxy-dimethylsilane has a molecular weight of 440.79 g/mol, XLogP of 8.42, 16 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(3R,5Z,8Z)-1,1-di(propan-2-yloxy)tetradeca-5,8-dien-3-yl]oxy-dimethylsilane is sourced from PubChem (CID 10813028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).